SCHEMBL6382053

SCHEMBL6382053

COc1cc2ncc(C#N)c(Nc3ccc(F)c(Br)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 15/20 0.71
STK25 O00506 1/20 0.61
CIT O14578 1/20 0.61
CHEK1 O14757 1/20 0.61
GAK O14976 1/20 0.61
DAPK3 O43293 1/20 0.61
JAK2 O60674 1/20 0.61
STK17B O94768 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
ABL1 P00519 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
FES P07332 1/20 0.61
CSF1R P07333 1/20 0.61
YES1 P07947 1/20 0.61
LYN P07948 1/20 0.61
MET P08581 1/20 0.61
HCK P08631 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6381836 1.00 EGFR (0.71) EGFRERBB2STK25CITCHEK1
SCHEMBL6383031 0.92 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL8146590 0.92 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL6384410 0.92 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL1892665 0.92 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL6383578 0.87 EGFR (0.85) EGFRERBB2
SCHEMBL6383583 0.87 EGFR (0.85) EGFRERBB2
SCHEMBL5499556 0.85 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL5499558 0.85 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL6380481 0.83 EGFR (1.00) EGFRERBB2STK25CITCHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US claimed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP claimed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US claimed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 WO claimed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed